UCSF

ZINC36731862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 4.05 -47.07 3 3 1 44 244.362 6
Mid Mid (pH 6-8) 1.27 4.72 -84.98 4 3 2 45 245.37 6
Mid Mid (pH 6-8) 1.27 6.2 -34.63 3 3 1 43 244.362 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )